General Information of the Compound
| Compound ID |
CP0529145
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| Compound Name |
2-[4-(4-acetamidophenyl)-6-amino-3,5-dicyanopyridin-2-yl]sulfanylacetamide
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| Structure |
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| Formula |
C17H14N6O2S
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| Molecular Weight |
366.406
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| Canonical SMILES |
CC(=O)Nc1ccc(cc1)-c1c(C#N)c(N)nc(SCC(N)=O)c1C#N
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| InChI |
InChI=1S/C17H14N6O2S/c1-9(24)22-11-4-2-10(3-5-11)15-12(6-18)16(21)23-17(13(15)7-19)26-8-14(20)25/h2-5H,8H2,1H3,(H2,20,25)(H2,21,23)(H,22,24)
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| InChIKey |
NIGOXEMFVICBOV-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00862, Adenosine receptor A2a
Protein ID: PT01278, Adenosine receptor A2b
Protein ID: PT01279, Adenosine receptor A3